SCHEMBL4391415

SCHEMBL4391415

N#CC(C#N)=C1N(CCCN2CC=CCC2)CCN1CCN1CC=CCC1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.63
MAOA P21397 7/20 0.41
MAOB P27338 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4384232 0.97 HRH3 (0.61) HRH3MAOAMAOB
SCHEMBL4388638 0.95 HRH3 (0.73) HRH3MAOAMAOB
SCHEMBL4382969 0.94 HRH3 (0.76) HRH3MAOA
SCHEMBL4388118 0.93 HRH3 (0.59) HRH3MAOAMAOB
SCHEMBL4383188 0.93 HRH3 (0.59) HRH3MAOA
SCHEMBL4389254 0.92 HRH3 (0.72) HRH3MAOAMAOB
SCHEMBL4381853 0.91 HRH3 (0.56) HRH3MAOA
SCHEMBL4395366 0.91 HRH3 (0.74) HRH3MAOA
SCHEMBL4391525 0.91 HRH3 (0.74) HRH3MAOA
SCHEMBL4395871 0.90 HRH3 (0.57) HRH3MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885MAOA 1592/4885MAOB 1584/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.